2-(2-fluorophenyl)benzaldehyde

• ChemBase ID: 93917
• Molecular Formular: C13H9FO
• Molecular Mass: 200.2083632
• Monoisotopic Mass: 200.06374313
• SMILES: O=Cc1c(cccc1)c1c(cccc1)F
• Canonical SMILES: O=Cc1ccccc1c1ccccc1F
• InChI: InChI=1S/C13H9FO/c14-13-8-4-3-7-12(13)11-6-2-1-5-10(11)9-15/h1-9H
• InChIKey: KKOOBRYMWSXJFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-fluorophenyl)benzaldehyde
• IUPAC Traditional name: 2-(2-fluorophenyl)benzaldehyde
• Synonyms: 2-(2-Fluorophenyl)benzaldehyde; 2'-Fluoro-[1,1'-biphenyl]-2-carboxaldehyde

Database IDs

• CAS Number: 223575-95-9
• MDL Number: MFCD03424636
• PubChem SID: 162080572
• PubChem CID: 1392968

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4756753
• LogD (pH = 7.4): 3.4756753
• Log P: 3.4756753
• Molar Refractivity: 57.9946 cm^3
• Polarizability: 22.840492 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant